Ti-Oxo Clusters with Peripheral Alkyl Groups as Cathode Interlayers for Efficient Organic Solar Cells

Three independent Ti-oxo clusters (TOCs) that contain 6, 8, and 12 Ti atoms in the cores and alkyl groups on the surface were developed as cathode interlayers in bulk-heterojunction organic solar cells (OSCs). These TOCs have precise chemical structures with a single crystal, excellent solubility in methanol, and well-aligned work function. Smooth films can be facilely obtained by spin-casting their solution on top of the active layer. Therefore, they can be used as an interlayer in OSCs to provide a high power conversion efficiency (17.29%). Further studies reveal that these TOCs can not only reduce the work function of the silver electrode to provide better energy level alignment but also exhibit a significant n-doping effect with the non-fullerene acceptors to facilitate efficient electron extraction and transport. Our results demonstrate that TOCs as semiconductors have great potential application in OSCs.